SCHEMBL24155488

SCHEMBL24155488

CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)c2ccccn2)CSSCC(C(N)=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.40
▸ TNFSF11 O14788 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ VDR P11473 1/20 0.39
▸ SSTR2 P30874 5/20 0.39
▸ SSTR1 P30872 4/20 0.39
▸ SSTR4 P31391 4/20 0.39
▸ SSTR3 P32745 4/20 0.39
▸ SSTR5 P35346 4/20 0.39
▸ F12 P00748 2/20 0.38
▸ TFPI P10646 2/20 0.37
▸ TSLP Q969D9 1/20 0.37
▸ F11 P03951 2/20 0.37
▸ ACE P12821 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24155284 0.94 TNFSF11 (0.38) CXCR4TNFSF11CACNA1BSSTR2SSTR1
SCHEMBL24155481 0.93 TNFSF11 (0.37) CXCR4TNFSF11CACNA1BSSTR2SSTR1
SCHEMBL24155857 0.87 VDR (0.45) CXCR4TNFSF11CACNA1BVDRSSTR2
SCHEMBL25758456 0.81 ESR1 (0.51) —
SCHEMBL29615096 0.66 TSLP (0.62) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL23351361 0.65 F11 (0.48) F12F11
SCHEMBL25455142 0.64 KEAP1 (0.53) CACNA1BSSTR2SSTR1SSTR4SSTR3
SCHEMBL18767060 0.64 TNFSF11 (0.48) TNFSF11CACNA1BSSTR2SSTR1SSTR4
SCHEMBL19545700 0.63 KDM1A (0.69) SSTR2SSTR4SSTR3SSTR5F11
SCHEMBL18767061 0.62 CSNK2A2 (0.48) TNFSF11CACNA1BSSTR2SSTR1SSTR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210939-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE VITEK, MICHAEL PETER 2023-07-06 — — US disclosed
WO-2021263069-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE LI FENGQIAO (US) 2021-12-30 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230210939-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE VIP, NPPA, IAPP CXCR4 327/4885TNFSF11 1198/4885CACNA1B 3064/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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